(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C15H20N2O2 — CID 115293542

IUPAC(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H20N2O2/c1-11-10-12-4-2-3-5-13(12)17(11)14(18)15(16)6-8-19-9-7-15/h2-5,11H,6-10,16H2,1H3
InChIKeyYCFPPKFATZVTNZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds1

About (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 115293542) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID115293542
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1(N)CCOCC1
InChIInChI=1S/C15H20N2O2/c1-11-10-12-4-2-3-5-13(12)17(11)14(18)15(16)6-8-19-9-7-15/h2-5,11H,6-10,16H2,1H3
InChIKeyYCFPPKFATZVTNZ-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115293471
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
4,7,7-trimethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2898180
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 115293542) is (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1(N)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is YCFPPKFATZVTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-12-4-2-3-5-13(12)17(11)14(18)15(16)6-8-19-9-7-15/h2-5,11H,6-10,16H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 115293542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).